(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate CAS Name: 2-[[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]thio]acetic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate Traditional Name: 2-[(4-methylpiperidine-1-carbothioyl)thio]acetic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C21H25NO4S2 MolecularWeight: 419.5575

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC(=S)N3CCC(CC3)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC(=S)N3CCC(CC3)C

InChI

InChI=1S/C21H25NO4S2/c1-3-15-4-5-17-16(11-19(23)26-18(17)10-15)12-25-20(24)13-28-21(27)22-8-6-14(2)7-9-22/h4-5,10-11,14H,3,6-9,12-13H2,1-2H3